>compound Thymine_Thymine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H6N2O2
#smiles CC(=C1)C(=O)NC(=O)N1
#RECORD LC-ESI-QTOF_train_data/PR100207.txt;LC-ESI-QTOF_train_data/PR100206.txt;LC-ESI-QTOF_train_data/PR100612.txt
>charge 1
>ionization [M+H]+
>parentmass 127.05073

>collision 30
54.0353 1.505
56.0504 1.478
82.0307 6.397
84.0466 7.102
109.0403 4.564
110.026 10.32
127.0507 5.534

>collision 5-60
84.0447 57.64
109.0401 56.87
110.0248 188.4
127.0507 526.1

>collision 5-60
125.0351 124.9

